Geometry & MOs

Info

ID:	439018
PubChem CID:	135228780
Reduced:	NC24H37 (1)
Stoich.:	AB24C37 (1)
Weight, g/mol:	456.288912
ΔH_f, kcal/mol:	26.2
Dipole, Da:	1.9
IP(EA), eV:	-8.64(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-5-[2-methoxy-5-(3-methylbutyl)-4-(4-methylidene-5-prop-1-en-2-yl-1H-pyridin-2-yl)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C/C(=C(/C)\C=C/C=C)/C(C)CC(=C)C1CCCCC1

DOS

IR

Vibrations