Geometry & MOs

Info

ID:	43923
PubChem CID:	10322068
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	461.256609
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	10.03
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)CCCC3=CC=CC=C3)C(C4=NC5=CC=CC=C5O4)O

DOS

IR

Vibrations