Geometry & MOs

Info

ID:	266136
PubChem CID:	103558496
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	4.14
IP(EA), eV:	-8.85(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(1-methoxycyclobutyl)-3-pyridin-3-ylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(CN)C(CC2(CCC2)OC)O)C

DOS

IR

Vibrations