Geometry & MOs

Info

ID:	125914
PubChem CID:	50943907
Reduced:	NO2C8H16 (2)
Stoich.:	AB2C8D16 (2)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-243.74
Dipole, Da:	2.63
IP(EA), eV:	-9.82(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-amino-4-[3-hydroxypropyl(propyl)carbamoyl]-3H-1-benzazepin-8-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@H](CCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations