Geometry & MOs

Info

ID:	437875
PubChem CID:	135227214
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	0.1
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methoxy-3-[(E)-N-(methylideneamino)-C-(phenoxymethyl)carbonimidoyl]hept-2-en-2-amine

Drug info:

PubChemData

Smile

CC1CC(=CC=C1CCOC2=NC=NC3=CC=CC=C32)C(C)(C)C

DOS

IR

Vibrations