Geometry & MOs

Info

ID:	414283
PubChem CID:	135087239
Reduced:	O3N8C26H38 (1)
Stoich.:	A3B8C26D38 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	13.41
IP(EA), eV:	-9.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(azepan-1-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2)C(=O)C3=CC=C(C=C3)CN4C=NN=N4

DOS

IR

Vibrations