Geometry & MOs

Info

ID:	427873
PubChem CID:	135164826
Reduced:	ON3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	397.218784
ΔH_f, kcal/mol:	5.61
Dipole, Da:	1.92
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(E)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethenyl]-5-prop-2-enoxyphenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)/C=C/C2=CN=CC=C2)CNCC3CCNC3

DOS

IR

Vibrations