Geometry & MOs

Info

ID:	330545
PubChem CID:	127247952
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	5.59
IP(EA), eV:	-9.0(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-methyl-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C=C(C(=N1)C)CN2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations