Geometry & MOs

Info

ID:	185192
PubChem CID:	77268442
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	461.252586
ΔH_f, kcal/mol:	-203.42
Dipole, Da:	5.75
IP(EA), eV:	-9.3(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-methoxypropyl)-2,7-dimethyl-3-oxo-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N1C(NC(C1=O)C(C(CC2=CC=CC=C2)NC(=O)O)O)C(C)C

DOS

IR

Vibrations