Geometry & MOs

Info

ID:	54015
PubChem CID:	14719522
Reduced:	FN4O6C25H31 (1)
Stoich.:	AB4C6D25E31 (1)
Weight, g/mol:	525.191815
ΔH_f, kcal/mol:	-261.53
Dipole, Da:	2.95
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 9-chloro-7-hydroxy-5-(4-hydroxyphenyl)-8-[(4-methoxyphenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)OC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC(=O)NCC)OC(=O)NCC)F

DOS

IR

Vibrations