Geometry & MOs

Info

ID:	194363
PubChem CID:	78523949
Reduced:	O2N4C21H25 (1)
Stoich.:	A2B4C21D25 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-5.25
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753395
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-1-oxopropan-2-yl) 3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3C(C[NH+](CN3)CCC4=CC=CC=C4)C(=O)NC2=O

DOS

IR

Vibrations