Geometry & MOs

Info

ID:	48567
PubChem CID:	11108588
Reduced:	NO5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-275.27
Dipole, Da:	3.05
IP(EA), eV:	-9.9(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(4-methylphenyl)-1,3-dihydro-2-benzazepine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1(N([C@H](CO1)[C@@](C)(CO)O)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations