Geometry & MOs

Info

ID:	327869
PubChem CID:	126691186
Reduced:	N2O3C23H40 (1)
Stoich.:	A2B3C23D40 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-146.73
Dipole, Da:	5.62
IP(EA), eV:	-8.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-2-[N'-[(3R)-1-methylpyrrolidin-3-yl]carbamimidoyl]-3-(4-phenoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C(C)C)C(C)CC1C[C@H](C[C@H](O1)C)NCC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations