Geometry & MOs

Info

ID:	369527
PubChem CID:	127334297
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-23.39
Dipole, Da:	5.07
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations