Geometry & MOs

Info

ID:	393543
PubChem CID:	135021006
Reduced:	NC8H10 (4)
Stoich.:	AB8C10 (4)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	90.63
Dipole, Da:	3.54
IP(EA), eV:	-8.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-5-amino-2-methyl-5-oxopent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(C(C(C1)(C)C)/C=C\2/C(=C3C=CC=CC3=N2)CCNC)C4=C(C5=CC=CC=C5N4)CCNC

DOS

IR

Vibrations