Geometry & MOs

Info

ID:	266109
PubChem CID:	103558416
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	31.95
Dipole, Da:	5.26
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methoxycyclobutyl)methyl]-1-propylbenzimidazol-5-yl]methanamine

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NC3=C(N2)C=C(C=C3)C#N

DOS

IR

Vibrations