Geometry & MOs

Info

ID:	439388
PubChem CID:	135229161
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	2.97
Dipole, Da:	3.04
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(Z)-1-amino-2-[(3-benzylimidazol-4-yl)methoxy]-3-methyliminoprop-1-enyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)NC1=NC(=NC=C1OCC2=NC(=CC=C2)C(=C=C)N)C

DOS

IR

Vibrations