Geometry & MOs

Info

ID:	76243
PubChem CID:	48424655
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-144.99
Dipole, Da:	2.3
IP(EA), eV:	-9.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-(cyclopropylmethoxy)propanoyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations