Geometry & MOs

Info

ID:	75612
PubChem CID:	48423738
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	2.06
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=C(N=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations