Geometry & MOs

Info

ID:	415974
PubChem CID:	135088979
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	4.85
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations