Geometry & MOs

Info

ID:	367400
PubChem CID:	127324480
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	330.172562
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	3.34
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations