Geometry & MOs

Info

ID:	286778
PubChem CID:	104222363
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	84.13
Dipole, Da:	5.31
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5,6-dimethylbenzimidazol-1-yl)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)C3=NC=C(C=N3)CNC

DOS

IR

Vibrations