Geometry & MOs

Info

ID:	158007
PubChem CID:	56459397
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-170.24
Dipole, Da:	8.66
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepane-1-carbonyl)phenyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations