Geometry & MOs

Info

ID:	330541
PubChem CID:	127247948
Reduced:	O4N5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-141.3
Dipole, Da:	4.72
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations