Geometry & MOs

Info

ID:	313358
PubChem CID:	126614066
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	460.193297
ΔH_f, kcal/mol:	49.85
Dipole, Da:	4.76
IP(EA), eV:	-9.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-2,5-dimethyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations