Geometry & MOs

Info

ID:	313349
PubChem CID:	126614042
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	502.230409
ΔH_f, kcal/mol:	100.62
Dipole, Da:	2.98
IP(EA), eV:	-9.19(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C=N3)C(=O)NCC4=CC=C(C=C4)C5(CC5)N

DOS

IR

Vibrations