Geometry & MOs

Info

ID:	325162
PubChem CID:	126681684
Reduced:	O3N4C38H40 (1)
Stoich.:	A3B4C38D40 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	30.01
Dipole, Da:	4.67
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminophenyl)-4-cyclopropyl-2-pyridin-3-ylbutan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=CC(=N2)C)C(=O)NC3=CC=CC(=C3)C(C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)NCC6CC6

DOS

IR

Vibrations