Geometry & MOs

Info

ID:	350336
PubChem CID:	127277414
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	5.54
IP(EA), eV:	-9.12(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(1-pyrazin-2-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)C2CCCN2C

DOS

IR

Vibrations