Geometry & MOs

Info

ID:	422053
PubChem CID:	135117098
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	360.135304
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	5.81
IP(EA), eV:	-8.66(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-[4-(3-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CCCCOC3=CC=CC=C3

DOS

IR

Vibrations