Geometry & MOs

Info

ID:	263803
PubChem CID:	103399632
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	3.9
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=CC(=C1)OC)OC)C2=C(C=CN=C2)N

DOS

IR

Vibrations