Geometry & MOs

Info

ID:	184895
PubChem CID:	77225474
Reduced:	BrN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	420.10486
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	4.12
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)ethyl-(2-hydroxy-3,3-dimethyl-2-pyridin-3-ylbutyl)carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCC1=CC=C(C=C1)Br)CC(C2=CN=CC=C2)O

DOS

IR

Vibrations