Geometry & MOs

Info

ID:	313353
PubChem CID:	126614052
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	499.294725
ΔH_f, kcal/mol:	39.41
Dipole, Da:	3.94
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-ethyl-4-methyl-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrrol-2-yl] N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=C(C=C2)CN3C=C(C=N3)OC(=O)NCC4=CC=C(C=C4)CN)C

DOS

IR

Vibrations