Geometry & MOs

Info

ID:	281213
PubChem CID:	103911486
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	37.21
Dipole, Da:	2.24
IP(EA), eV:	-9.03(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Cl)NC(C)C2=CNN=C2

DOS

IR

Vibrations