Geometry & MOs

Info

ID:	368368
PubChem CID:	127328090
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	5.19
IP(EA), eV:	-8.66(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations