Geometry & MOs

Info

ID:	157519
PubChem CID:	56435482
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	3.34
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)CNC(=O)C(C3=CC=CC=C3)NC(=O)CC(C)C)C

DOS

IR

Vibrations