Geometry & MOs

Info

ID:	330560
PubChem CID:	127247967
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	4.97
IP(EA), eV:	-8.52(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C2CCOCC2)CC3=NN(C=C3)C

DOS

IR

Vibrations